REMARK Name = BDB056203 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.188 -1.523 0.076 0.00 0.00 +0.163 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -0.037 -1.199 2.199 0.00 0.00 +0.234 C ATOM 3 N LIG 1 0.013 -1.077 0.824 0.00 0.00 -0.302 N ATOM 4 H LIG 1 -0.474 -0.259 0.452 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 0.811 -1.823 2.834 0.00 0.00 -0.274 OA BRANCH 2 8 ATOM 6 C LIG 1 -2.919 -0.109 1.113 0.00 0.00 +0.237 C ATOM 7 N LIG 1 -2.489 -0.713 2.273 0.00 0.00 -0.288 N ATOM 8 C LIG 1 -1.180 -0.395 2.865 0.00 0.00 +0.162 C ATOM 9 C LIG 1 -1.352 -0.739 4.347 0.00 0.00 +0.033 C ATOM 10 C LIG 1 -2.368 -1.875 4.320 0.00 0.00 +0.021 C ATOM 11 C LIG 1 -3.321 -1.446 3.216 0.00 0.00 +0.109 C ATOM 12 O LIG 1 -2.178 0.646 0.471 0.00 0.00 -0.274 OA BRANCH 6 13 ATOM 13 C LIG 1 -4.326 -0.465 0.580 0.00 0.00 +0.162 C BRANCH 13 15 ATOM 14 C LIG 1 -5.994 1.224 -0.158 0.00 0.00 +0.230 C ATOM 15 N LIG 1 -4.753 0.642 -0.273 0.00 0.00 -0.302 N ATOM 16 H LIG 1 -4.009 1.131 -0.761 0.00 0.00 +0.150 HD ATOM 17 O LIG 1 -6.876 0.750 0.559 0.00 0.00 -0.274 OA BRANCH 14 18 ATOM 18 C LIG 1 -6.236 2.458 -1.068 0.00 0.00 +0.137 C ATOM 19 C LIG 1 -5.174 3.535 -0.868 0.00 0.00 +0.034 C BRANCH 18 21 ATOM 20 C LIG 1 -8.260 3.502 -1.927 0.00 0.00 +0.101 C ATOM 21 N LIG 1 -7.559 3.035 -0.740 0.00 0.00 -0.309 NA ATOM 22 H LIG 1 -8.114 2.300 -0.287 0.00 0.00 +0.122 HD ENDBRANCH 18 21 ENDBRANCH 14 18 ENDBRANCH 13 15 BRANCH 13 23 ATOM 23 C LIG 1 -4.309 -1.817 -0.172 0.00 0.00 +0.012 C ATOM 24 C LIG 1 -5.731 -2.317 -0.442 0.00 0.00 +0.009 C ATOM 25 C LIG 1 -3.519 -1.770 -1.485 0.00 0.00 +0.009 C ENDBRANCH 13 23 ENDBRANCH 6 13 ENDBRANCH 2 8 ENDBRANCH 1 3 BRANCH 1 26 ATOM 26 C LIG 1 2.206 -0.365 0.075 0.00 0.00 +0.234 C ATOM 27 N LIG 1 3.522 -0.745 -0.027 0.00 0.00 -0.302 N ATOM 28 H LIG 1 3.772 -1.724 -0.156 0.00 0.00 +0.150 HD ATOM 29 O LIG 1 1.868 0.818 0.128 0.00 0.00 -0.274 OA BRANCH 27 30 ATOM 30 C LIG 1 4.611 0.227 -0.077 0.00 0.00 +0.163 C BRANCH 30 31 ATOM 31 C LIG 1 5.836 -0.493 -0.665 0.00 0.00 +0.231 C ATOM 32 O LIG 1 5.984 -1.714 -0.624 0.00 0.00 -0.274 OA ATOM 33 N LIG 1 6.789 0.297 -1.241 0.00 0.00 -0.328 N ATOM 34 H LIG 1 7.637 -0.158 -1.553 0.00 0.00 +0.145 HD ATOM 35 H LIG 1 6.816 1.299 -1.094 0.00 0.00 +0.145 HD ENDBRANCH 30 31 BRANCH 30 36 ATOM 36 C LIG 1 4.923 0.784 1.323 0.00 0.00 +0.067 C BRANCH 36 37 ATOM 37 C LIG 1 5.811 2.006 1.306 0.00 0.00 -0.045 A ATOM 38 C LIG 1 5.327 3.225 0.811 0.00 0.00 +0.007 A ATOM 39 C LIG 1 6.154 4.348 0.769 0.00 0.00 +0.045 A ATOM 40 C LIG 1 7.462 4.257 1.228 0.00 0.00 +0.117 A ATOM 41 C LIG 1 7.959 3.061 1.732 0.00 0.00 +0.045 A ATOM 42 C LIG 1 7.133 1.935 1.772 0.00 0.00 +0.007 A BRANCH 40 43 ATOM 43 O LIG 1 8.235 5.379 1.169 0.00 0.00 -0.507 OA ATOM 44 H LIG 1 9.091 5.188 1.585 0.00 0.00 +0.292 HD ENDBRANCH 40 43 ENDBRANCH 36 37 ENDBRANCH 30 36 ENDBRANCH 27 30 ENDBRANCH 1 26 BRANCH 1 45 ATOM 45 C LIG 1 0.790 -1.889 -1.361 0.00 0.00 +0.067 C BRANCH 45 46 ATOM 46 C LIG 1 1.883 -2.592 -2.129 0.00 0.00 -0.045 A ATOM 47 C LIG 1 2.609 -1.912 -3.115 0.00 0.00 +0.004 A ATOM 48 C LIG 1 3.647 -2.550 -3.794 0.00 0.00 +0.000 A ATOM 49 C LIG 1 3.966 -3.873 -3.497 0.00 0.00 +0.000 A ATOM 50 C LIG 1 3.246 -4.561 -2.522 0.00 0.00 +0.000 A ATOM 51 C LIG 1 2.208 -3.925 -1.841 0.00 0.00 +0.004 A ENDBRANCH 45 46 ENDBRANCH 1 45 TORSDOF 15